SCHEMBL9529218

SCHEMBL9529218

Cc1nc2cccc(OCCc3ccccc3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
IDO1 P14902 1/20 0.42
MMP13 P45452 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
MAOA P21397 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HTR1A P08908 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7619113 0.86 L3MBTL1 (0.54) MAPTMAPK1TDP1L3MBTL1
SCHEMBL9529209 0.78 DRD2 (0.71) DRD2DRD4DRD3NOS3NOS1
SCHEMBL9528492 0.78 MAPT (0.54) HTR1AKMT2AMAPTMAPK1TDP1
SCHEMBL7612960 0.74 SGMS2 (0.46) PARP1KMT2AMAPTAR
SCHEMBL9528423 0.74 MAPT (0.53) HRH4HTR1AKMT2AMAPTMAPK1
SCHEMBL4611131 0.74 ALDH1A1 (0.46) PARP1KMT2AMAPTL3MBTL1
SCHEMBL19612224 0.73 MAPT (0.66) DRD2IDO1CYP11B1CYP11B2HTR1B
SCHEMBL13469303 0.72 GAA (0.46) PARP1TNKS2KMT2AMAPK1TDP1
SCHEMBL17912813 0.71 CYP11B1 (0.56) DRD2IDO1CYP11B1CYP11B2HTR1A
SCHEMBL12301146 0.70 SCN4A (0.53) DRD2DRD4IDO1CYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed
EP-0266326-A1 Novel derivatives of benzimidazoles active as anti-ulcer agents Aktiebolaget Hässle (SE) 1988-05-04 EP disclosed